Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.35 |
| ▸ | SLCO1B3 | Q9NPD5 | 4/20 | 0.35 |
| ▸ | SLCO1B1 | Q9Y6L6 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.35 |
| ▸ | SLCO2B1 | O94956 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | CSF1R | P07333 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21738194 | 0.90 | XDH (0.42) | CYP2C9SLCO1B3SLCO1B1CYP3A4ALOX15 | |
| SCHEMBL21738179 | 0.83 | XDH (0.47) | CYP2C9SLCO1B3SLCO1B1CYP3A4ALOX15 | |
| SCHEMBL21738227 | 0.82 | CYP2C9 (0.55) | CYP2C9SLCO1B3SLCO1B1CYP3A4ALOX15 | |
| SCHEMBL21738193 | 0.81 | PTGS1 (0.48) | CYP3A4ALOX15MAPTKMT2AALDH1A1 | |
| SCHEMBL21738226 | 0.80 | CYP1A1 (0.48) | CYP2C9SLCO1B3SLCO1B1CYP3A4ALOX15 | |
| SCHEMBL21738288 | 0.79 | XDH (0.42) | CYP2C9SLCO1B3SLCO1B1CYP3A4ALOX15 | |
| SCHEMBL21722709 | 0.79 | SLCO1B3 (0.41) | CYP2C9SLCO1B3SLCO1B1CYP3A4ALOX15 | |
| SCHEMBL21722685 | 0.78 | XDH (0.44) | CYP2C9SLCO1B3SLCO1B1CYP3A4ALOX15 | |
| SCHEMBL28653165 | 0.77 | XDH (0.57) | CYP2C9SLCO1B3SLCO1B1CYP3A4ALOX15 | |
| SCHEMBL21722694 | 0.76 | XDH (0.48) | CYP2C9SLCO1B3SLCO1B1CYP3A4ALOX15 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020035058-A1 | PHARMACEUTICAL COMPOUNDS FOR TREATING LIVER DISEASES AND APPLICATION THEREOF | 江苏新元素医药科技有限公司 | 2020-02-20 | — | — | WO | disclosed |